3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine

C121H138BrF4N23O8 — CID 157454568

About 3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine

3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine (PubChem CID 157454568) has the molecular formula C121H138BrF4N23O8 and a molecular weight of 2198.48 g/mol. Its IUPAC name is 3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine.

Molecular Properties

• Compound Name: 3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine
• PubChem CID: 157454568
• Molecular Formula: C121H138BrF4N23O8
• Molecular Weight: 2198.48 g/mol
• Exact Mass: 2196.02
• IUPAC Name: 3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine
• SMILES: CC#CCOOOO.CC#CCOOOO.CN1C2CCC1C(c1cnc(N)c(-c3ccncc3)c1)C2.CN1C2CCC1C(c1cnc(N)c(Br)c1)C2.Cc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cn1.Cc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cn1.Cc1ccc(-c2cc(C3CC4CCC3N4C)cnc2N)cn1.Fc1ncc(C2CC3CCC2N3)cc1-c1ccncc1.Fc1ncc(C2CC3CCC2N3)cc1-c1ccncc1
• InChI: InChI=1S/C18H22N4.2C17H18FN3.C17H20N4.2C16H16FN3.C12H16BrN3.2C4H6O4/c1-11-3-4-12(9-20-11)16-7-13(10-21-18(16)19)15-8-14-5-6-17(15)22(14)2;2*1-10-2-3-11(8-19-10)15-6-12(9-20-17(15)18)14-7-13-4-5-16(14)21-13;1-21-13-2-3-16(21)14(9-13)12-8-15(17(18)20-10-12)11-4-6-19-7-5-11;2*17-16-14(10-3-5-18-6-4-10)7-11(9-19-16)13-8-12-1-2-15(13)20-12;1-16-8-2-3-11(16)9(5-8)7-4-10(13)12(14)15-6-7;2*1-2-3-4-6-8-7-5/h3-4,7,9-10,14-15,17H,5-6,8H2,1-2H3,(H2,19,21);2*2-3,6,8-9,13-14,16,21H,4-5,7H2,1H3;4-8,10,13-14,16H,2-3,9H2,1H3,(H2,18,20);2*3-7,9,12-13,15,20H,1-2,8H2;4,6,8-9,11H,2-3,5H2,1H3,(H2,14,15);2*5H,4H2,1H3
• InChIKey: BTEVHBGNSJGOGI-UHFFFAOYSA-N
• XLogP: 20.94
• TPSA: 399.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2198.48
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine?

The IUPAC name of 3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine (CID 157454568) is 3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine.

What is the SMILES notation for 3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine?

The canonical SMILES for 3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine is CC#CCOOOO.CC#CCOOOO.CN1C2CCC1C(c1cnc(N)c(-c3ccncc3)c1)C2.CN1C2CCC1C(c1cnc(N)c(Br)c1)C2.Cc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cn1.Cc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cn1.Cc1ccc(-c2cc(C3CC4CCC3N4C)cnc2N)cn1.Fc1ncc(C2CC3CCC2N3)cc1-c1ccncc1.Fc1ncc(C2CC3CCC2N3)cc1-c1ccncc1.

What is the InChIKey of 3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine?

The InChIKey is BTEVHBGNSJGOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4.2C17H18FN3.C17H20N4.2C16H16FN3.C12H16BrN3.2C4H6O4/c1-11-3-4-12(9-20-11)16-7-13(10-21-18(16)19)15-8-14-5-6-17(15)22(14)2;2*1-10-2-3-11(8-19-10)15-6-12(9-20-17(15)18)14-7-13-4-5-16(14)21-13;1-21-13-2-3-16(21)14(9-13)12-8-15(17(18)20-10-12)11-4-6-19-7-5-11;2*17-16-14(10-3-5-18-6-4-10)7-11(9-19-16)13-8-12-1-2-15(13)20-12;1-16-8-2-3-11(16)9(5-8)7-4-10(13)12(14)15-6-7;2*1-2-3-4-6-8-7-5/h3-4,7,9-10,14-15,17H,5-6,8H2,1-2H3,(H2,19,21);2*2-3,6,8-9,13-14,16,21H,4-5,7H2,1H3;4-8,10,13-14,16H,2-3,9H2,1H3,(H2,18,20);2*3-7,9,12-13,15,20H,1-2,8H2;4,6,8-9,11H,2-3,5H2,1H3,(H2,14,15);2*5H,4H2,1H3.

What are the key properties of 3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine?

3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine has a molecular weight of 2198.48 g/mol, XLogP of 20.94, 19 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine is sourced from PubChem (CID 157454568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).